1UP3
Structure of the endoglucanase Cel6 from Mycobacterium tuberculosis in complex with METHYL-CELLOBIOSYL-4-DEOXY-4-THIO-BETA-D-CELLOBIOSIDE at 1.6 angstrom
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2003-07-15 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 61.893, 93.058, 46.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.840 - 1.600 |
R-factor | 0.14 |
Rwork | 0.138 |
R-free | 0.17400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | COMPLEX WITH SDP5 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.570 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.097 | 0.393 |
Number of reflections | 35625 | |
<I/σ(I)> | 13.2 | 3 |
Completeness [%] | 98.6 | 95.6 |
Redundancy | 4.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 14 % PEG 4K, 100 MM MES 6.5, 200 MM LISO4. THE PROTEIN WAS AT 10MG/ML AND INCUBATED WITH 1 MM OF LIGAND FOR 1 HOUR PRIOR CRYSTALLISATION. 30 % PEG 400 WAS ADDED AS CRYOPROTECTANT, pH 6.50 |